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. 2023 Jul 28;13:12236. doi: 10.1038/s41598-023-39236-w

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© The Author(s) 2023

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Drug candidates with ethylenepyridine and benzopyridine moieties. (A) Cell viability (MTT assay) evaluated following glioblastoma cell (LN229) exposure to 25 μM of the corresponding BPA-pyrimidines. Data indicate average values with standard deviation (n = 3). (B) Tabulated values for glioblastoma-relevant parameters. CV = Cell viability (% of control) mean ± SD at 25 μM; ClogD = calculated distribution coefficient at physiological pH (lipophilicity); MPA = Minimal Projection Area (Å²); PL = Molecular Polarizability (Å³); E_LUMO = energy of LUMO (Lowest Unoccupied Molecular Orbital) (eV); E_HOMO = Energy of HOMO (Highest Occupied Molecular Orbital) (eV). (C) IC50 graphs and pictures of the cells at 10, 20, and 40 µM for HR82, HR83 and HR81 (negative control for glioblastoma-specific toxicity). Data represent average values with standard deviation (n = 3).